Task 38666551
| Name | test_40-GPUGRID_TEST_ATM_40STEP_20261023-7-40-RND8339_0 |
| Workunit | 31609421 |
| Created | 25 Oct 2026, 3:46:50 UTC |
| Sent | 25 Oct 2026, 4:11:09 UTC |
| Report deadline | 30 Oct 2026, 4:11:09 UTC |
| Received | 25 Oct 2026, 11:22:49 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 627263 |
| Run time | 44 min 4 sec |
| CPU time | 30 min 55 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 34,102.83 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 2.92 GB |
| Peak swap size | 6.99 GB |
| Peak disk usage | 4.18 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:40:14 (12944): wrapper (7.9.26016): starting
06:40:14 (12944): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
06:40:19 (12944): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:40:19 (12944): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
WARNING: The script pyaml.exe is installed in 'D:\ProgramData\BOINC\slots\2\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'D:\ProgramData\BOINC\slots\2\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
07:22:03 (12944): C:/Windows/system32/cmd.exe exited; CPU time 1855.625000
07:22:03 (12944): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 56349219 bytes.
Dumping objects ->
{3835205} normal block at 0x000001BCC6901970, 48 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835194} normal block at 0x000001BCC69016D0, 48 bytes long.
Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835183} normal block at 0x000001BCC6901D60, 48 bytes long.
Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835172} normal block at 0x000001BCC68B56C0, 48 bytes long.
Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835161} normal block at 0x000001BCC68B57A0, 48 bytes long.
Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61
{3835130} normal block at 0x000001BCC86AA430, 64 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835117} normal block at 0x000001BCC68AD9B0, 8 bytes long.
Data: < ᒬ > 00 00 DF C6 BC 01 00 00
{3833959} normal block at 0x000001BCC68AD7D0, 8 bytes long.
Data: <`å Ƽ > 60 E5 98 C6 BC 01 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001BCC68B2280, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001BCC68A66C0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x000001BCC68B6520, 16 bytes long.
Data: <h`‹Æ¼ > 68 60 8B C6 BC 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001BCC68B67F0, 16 bytes long.
Data: <@`‹Æ¼ > 40 60 8B C6 BC 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001BCC68AFE70, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x000001BCC68B6610, 16 bytes long.
Data: < `‹Æ¼ > 18 60 8B C6 BC 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001BCC68B63E0, 16 bytes long.
Data: <ð_‹Æ¼ > F0 5F 8B C6 BC 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001BCC68B6390, 16 bytes long.
Data: <È_‹Æ¼ > C8 5F 8B C6 BC 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001BCC68B68E0, 16 bytes long.
Data: < _‹Æ¼ > A0 5F 8B C6 BC 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001BCC68B53B0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x000001BCC68B61B0, 16 bytes long.
Data: <È÷‰Æ¼ > C8 F7 89 C6 BC 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001BCC68AFE10, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x000001BCC68B7060, 16 bytes long.
Data: < ÷‰Æ¼ > A0 F7 89 C6 BC 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001BCC68B6BB0, 16 bytes long.
Data: <x÷‰Æ¼ > 78 F7 89 C6 BC 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001BCC68B7100, 16 bytes long.
Data: <P÷‰Æ¼ > 50 F7 89 C6 BC 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001BCC68B6200, 16 bytes long.
Data: <(÷‰Æ¼ > 28 F7 89 C6 BC 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001BCC68B6B10, 16 bytes long.
Data: < ÷‰Æ¼ > 00 F7 89 C6 BC 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001BCC68B6E30, 16 bytes long.
Data: <Øö‰Æ¼ > D8 F6 89 C6 BC 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001BCC68AF870, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x000001BCC68B6430, 16 bytes long.
Data: <°ö‰Æ¼ > B0 F6 89 C6 BC 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001BCC689F6B0, 320 bytes long.
Data: <0d‹Æ¼ pøŠÆ¼ > 30 64 8B C6 BC 01 00 00 70 F8 8A C6 BC 01 00 00
{275} normal block at 0x000001BCC68B7010, 16 bytes long.
Data: < _‹Æ¼ > 80 5F 8B C6 BC 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001BCC68B62A0, 16 bytes long.
Data: <X_‹Æ¼ > 58 5F 8B C6 BC 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001BCC68B05F0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x000001BCC68B6750, 16 bytes long.
Data: <0_‹Æ¼ > 30 5F 8B C6 BC 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001BCC68B00B0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x000001BCC68B6C50, 16 bytes long.
Data: <x^‹Æ¼ > 78 5E 8B C6 BC 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001BCC68B6660, 16 bytes long.
Data: <P^‹Æ¼ > 50 5E 8B C6 BC 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001BCC68B6AC0, 16 bytes long.
Data: <(^‹Æ¼ > 28 5E 8B C6 BC 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001BCC68B6C00, 16 bytes long.
Data: < ^‹Æ¼ > 00 5E 8B C6 BC 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001BCC68B6480, 16 bytes long.
Data: <Ø]‹Æ¼ > D8 5D 8B C6 BC 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001BCC68AE130, 16 bytes long.
Data: <°]‹Æ¼ > B0 5D 8B C6 BC 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001BCC68AE040, 16 bytes long.
Data: < T‹Æ¼ > 20 54 8B C6 BC 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001BCC68B5420, 40 bytes long.
Data: <@àŠÆ¼ 0¤jȼ > 40 E0 8A C6 BC 01 00 00 30 A4 6A C8 BC 01 00 00
{261} normal block at 0x000001BCC68ADF00, 16 bytes long.
Data: < ]‹Æ¼ > 90 5D 8B C6 BC 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001BCC68AE400, 16 bytes long.
Data: <h]‹Æ¼ > 68 5D 8B C6 BC 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001BCC68AF7B0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x000001BCC68AD730, 16 bytes long.
Data: <@]‹Æ¼ > 40 5D 8B C6 BC 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001BCC68B5D40, 992 bytes long.
Data: <0׊Ƽ °÷ŠÆ¼ > 30 D7 8A C6 BC 01 00 00 B0 F7 8A C6 BC 01 00 00
{93} normal block at 0x000001BCC68AFCF0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x000001BCC68AE5E0, 16 bytes long.
Data: <`R‹Æ¼ > 60 52 8B C6 BC 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000001BCC68B5260, 40 bytes long.
Data: <àåŠÆ¼ ðüŠÆ¼ > E0 E5 8A C6 BC 01 00 00 F0 FC 8A C6 BC 01 00 00
{70} normal block at 0x000001BCC68ADD20, 16 bytes long.
Data: < ê*åö > 80 EA 2A E5 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001BCC68AD780, 16 bytes long.
Data: <@é*åö > 40 E9 2A E5 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001BCC68AD910, 16 bytes long.
Data: <øW'åö > F8 57 27 E5 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001BCC68AE540, 16 bytes long.
Data: <ØW'åö > D8 57 27 E5 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001BCC68AE1D0, 16 bytes long.
Data: <P 'åö > 50 04 27 E5 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001BCC68AE180, 16 bytes long.
Data: <0 'åö > 30 04 27 E5 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001BCC68ADFA0, 16 bytes long.
Data: <à 'åö > E0 02 27 E5 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001BCC68AD8C0, 16 bytes long.
Data: < 'åö > 10 04 27 E5 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001BCC68ADB40, 16 bytes long.
Data: <p 'åö > 70 04 27 E5 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001BCC68AE090, 16 bytes long.
Data: < À%åö > 18 C0 25 E5 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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